Modeling, Optimization and Uncertainty Quantification of Solids-Based CO2 Capture Technologies

Author

Anca Ostace, West Virginia UniversityFollow

Semester

Fall

Date of Graduation

2021

Document Type

Dissertation

Degree Type

PhD

College

Statler College of Engineering and Mineral Resources

Department

Chemical and Biomedical Engineering

Committee Chair

Debangsu Bhattacharyya

Committee Member

David Mebane

Committee Member

David Miller

Committee Member

Richard Turton

Committee Member

Stephen Zitney

Committee Member

Debangsu Bhattacharyya

Abstract

Solids-based carbon dioxide (CO₂)adsorption, where CO₂ is adsorbed under high pressure/low temperature and desorbed at low pressure/high temperature, is a low energy consumption capture technology with high carbon uptake efficiency. Chemical looping combustion (CLC), where a solid oxygen carrier (OC) transports oxygen between two high-temperature reactors – a fuel and an air reactor –, is a low energy penalty, fuel-flexible technology with inherent CO₂ capture for power/heat and syngas production.

In this work, state-of-the-art equation-oriented (EO) mathematical models of a fixed-bed (FxB) contactor for CO₂ adsorption and moving-bed (MB) reactors for gas-, and solid-fueled CLC processes are developed. The solid-fueled MB model is a multi-zonal model for the CLC of coal. Large-scale nonlinear optimization problems are solved for simultaneous optimization of design and operating conditions for the CLC processes. Further, a Bayesian parameter estimation and model building framework is proposed and used to quantify the parametric and model form uncertainty of CO₂ adsorption isotherm and CLC OC reduction kinetic models based on experimental data. The model form discrepancy is described by a set of orthogonal functions which are naturally suitable and efficient for uncertainty propagation to the unit/process model in which the discrepancy-augmented models are implemented. By using the joint posterior distribution of the model and discrepancy function parameters and inserting discrepancy functions in the isotherm and kinetic models coupled with the EO unit/process reactor models, the effect of the uncertainty inherent to bench-scale adsorption/kinetic models on key process variables of the large-scale systems are evaluated.

Recommended Citation

Ostace, Anca, "Modeling, Optimization and Uncertainty Quantification of Solids-Based CO2 Capture Technologies" (2021). Graduate Theses, Dissertations, and Problem Reports. 10335.
https://researchrepository.wvu.edu/etd/10335

Embargo Reason

Publication Pending